butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane

C48H74O2P2 — CID 102531963

IUPACbutyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCCCCP(O/C(=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccc(OC)cc1)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C48H74O2P2/c1-21-22-27-52(41-38(47(14,15)16)30-34(44(5,6)7)31-39(41)48(17,18)19)50-42(32-23-25-35(49-20)26-24-32)51-40-36(45(8,9)10)28-33(43(2,3)4)29-37(40)46(11,12)13/h23-26,28-31H,21-22,27H2,1-20H3
InChIKeyMMHNAKCMOUGHIE-UHFFFAOYSA-N
MW745.07 g/mol
LogP13.77
Rot. Bonds9

About butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane

butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 102531963) has the molecular formula C48H74O2P2 and a molecular weight of 745.07 g/mol. Its IUPAC name is butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Namebutyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID102531963
Molecular FormulaC48H74O2P2
Molecular Weight745.07 g/mol
Exact Mass744.52
IUPAC Namebutyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCCCCP(O/C(=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccc(OC)cc1)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C48H74O2P2/c1-21-22-27-52(41-38(47(14,15)16)30-34(44(5,6)7)31-39(41)48(17,18)19)50-42(32-23-25-35(49-20)26-24-32)51-40-36(45(8,9)10)28-33(43(2,3)4)29-37(40)46(11,12)13/h23-26,28-31H,21-22,27H2,1-20H3
InChIKeyMMHNAKCMOUGHIE-UHFFFAOYSA-N
XLogP13.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.07
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
CID 134920180
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
(2-butoxy-3,5-ditert-butylphenyl)boronic acid
CID 22345412
butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773778
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
CID 144556494
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826

Frequently Asked Questions

What is the IUPAC name of butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane (CID 102531963) is butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane is CCCCP(O/C(=P/c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccc(OC)cc1)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is MMHNAKCMOUGHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H74O2P2/c1-21-22-27-52(41-38(47(14,15)16)30-34(44(5,6)7)31-39(41)48(17,18)19)50-42(32-23-25-35(49-20)26-24-32)51-40-36(45(8,9)10)28-33(43(2,3)4)29-37(40)46(11,12)13/h23-26,28-31H,21-22,27H2,1-20H3.
What are the key properties of butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane?
butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 745.07 g/mol, XLogP of 13.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 102531963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).